tert-butyl N-[1-[5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]azetidin-3-yl]carbamate

C27H40N6O5 — CID 23526994

IUPACtert-butyl N-[1-[5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]azetidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CN(c2ccc(-c3noc(C(CCCC4CCCCC4)CC(=O)NO)n3)cn2)C1
InChIInChI=1S/C27H40N6O5/c1-27(2,3)37-26(35)29-21-16-33(17-21)22-13-12-20(15-28-22)24-30-25(38-32-24)19(14-23(34)31-36)11-7-10-18-8-5-4-6-9-18/h12-13,15,18-19,21,36H,4-11,14,16-17H2,1-3H3,(H,29,35)(H,31,34)
InChIKeyIENOMXUNWCKEPT-UHFFFAOYSA-N
MW528.65 g/mol
LogP4.57
Rot. Bonds10

About tert-butyl N-[1-[5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]azetidin-3-yl]carbamate

tert-butyl N-[1-[5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]azetidin-3-yl]carbamate (PubChem CID 23526994) has the molecular formula C27H40N6O5 and a molecular weight of 528.65 g/mol. Its IUPAC name is tert-butyl N-[1-[5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]azetidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]azetidin-3-yl]carbamate
PubChem CID23526994
Molecular FormulaC27H40N6O5
Molecular Weight528.65 g/mol
Exact Mass528.31
IUPAC Nametert-butyl N-[1-[5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]azetidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CN(c2ccc(-c3noc(C(CCCC4CCCCC4)CC(=O)NO)n3)cn2)C1
InChIInChI=1S/C27H40N6O5/c1-27(2,3)37-26(35)29-21-16-33(17-21)22-13-12-20(15-28-22)24-30-25(38-32-24)19(14-23(34)31-36)11-7-10-18-8-5-4-6-9-18/h12-13,15,18-19,21,36H,4-11,14,16-17H2,1-3H3,(H,29,35)(H,31,34)
InChIKeyIENOMXUNWCKEPT-UHFFFAOYSA-N
XLogP4.57
TPSA142.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.65
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[1-[5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]azetidin-3-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (3S)-6-cyclohexyl-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoate
CID 135712657
(3R)-6-cyclohexyl-3-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 59059269
tert-butyl 3-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate
CID 23526941
(3R)-3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide
CID 59059270
tert-butyl 6-cyclohexyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hexanoate
CID 23526968
5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid
CID 22636630
(4R)-4-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-7-cyclohexylheptan-2-one
CID 59059333
6-cyclohexyl-N-hydroxy-3-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 23526916
ethyl 5-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylate
CID 10202978
(3R)-6-cyclohexyl-3-[3-[6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 59059345
2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-4-carboxylic acid
CID 135712682
3-[3-(2-tert-butyltetrazol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide
CID 23526910

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]azetidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]azetidin-3-yl]carbamate (CID 23526994) is tert-butyl N-[1-[5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]azetidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]azetidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]azetidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CN(c2ccc(-c3noc(C(CCCC4CCCCC4)CC(=O)NO)n3)cn2)C1.
What is the InChIKey of tert-butyl N-[1-[5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]azetidin-3-yl]carbamate?
The InChIKey is IENOMXUNWCKEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N6O5/c1-27(2,3)37-26(35)29-21-16-33(17-21)22-13-12-20(15-28-22)24-30-25(38-32-24)19(14-23(34)31-36)11-7-10-18-8-5-4-6-9-18/h12-13,15,18-19,21,36H,4-11,14,16-17H2,1-3H3,(H,29,35)(H,31,34).
What are the key properties of tert-butyl N-[1-[5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]azetidin-3-yl]carbamate?
tert-butyl N-[1-[5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]azetidin-3-yl]carbamate has a molecular weight of 528.65 g/mol, XLogP of 4.57, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]azetidin-3-yl]carbamate is sourced from PubChem (CID 23526994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).